2-[4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperazino]isonicotinonitrile Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)NC1=O

InChI

InChI=1S/C20H19N5O2S/c21-13-14-3-5-22-18(11-14)24-6-8-25(9-7-24)20(27)15-1-2-17-16(12-15)23-19(26)4-10-28-17/h1-3,5,11-12H,4,6-10H2,(H,23,26)